Mol:FL7AAGGL0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 54 59  0  0  0  0  0  0  0  0999 V2000
   -2.0211    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232    1.3112    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.5524    1.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    0.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0094    1.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0094    2.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    2.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5524    2.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    3.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356    1.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    2.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064   -1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    0.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -0.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6505   -1.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574   -1.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038   -1.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1970   -1.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7879   -1.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -2.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4936   -2.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489   -2.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116   -2.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784   -2.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232   -2.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1603   -2.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071   -0.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022   -1.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0896   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0628   -0.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354   -0.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255   -1.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6923   -1.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -2.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -3.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784   -3.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8354   -0.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 13 21  1  0  0  0  0
 22  8  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 20  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  1  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 39  1  0  0  0  0
 39 45  1  0  0  0  0
 44 46  1  0  0  0  0
 43 47  1  0  0  0  0
 42 48  1  0  0  0  0
 36 49  1  0  0  0  0
 48 49  1  0  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
 35 52  1  0  0  0  0
 40 22  1  0  0  0  0
 53 54  1  0  0  0  0
 28 53  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  53  54
M  SBL   1  1  59
M  SMT   1 ^ CH2OH
M  SBV   1  59    0.5379   -0.5033
S  SKP  5
ID	FL7AAGGL0012
FORMULA	C33H41O21
EXACTMASS	773.214033374
AVERAGEMASS	773.66604
SMILES	O(C(C6O)OC(C(C6O)O)COC(C5O)OC(C(O)C(O)5)C)c(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(c2)O)OC(O1)C(O)C(C(O)C(CO)1)O
M  END

</pre>